N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine

C54H39NOS — CID 168802070

IUPACN-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)oc2cc4ccccc4cc23)c2ccc3ccccc3c2-c2cccc3c2sc2ccccc23)c(-c2ccccc2)c1
InChIInChI=1S/C54H39NOS/c1-54(2,3)38-25-29-47(45(32-38)34-14-5-4-6-15-34)55(39-26-27-41-46-30-36-17-7-8-18-37(36)31-49(46)56-50(41)33-39)48-28-24-35-16-9-10-19-40(35)52(48)44-22-13-21-43-42-20-11-12-23-51(42)57-53(43)44/h4-33H,1-3H3
InChIKeyAHHFHWVSMZOQJD-UHFFFAOYSA-N
MW749.98 g/mol
LogP16.36
Rot. Bonds5

About N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine

N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 168802070) has the molecular formula C54H39NOS and a molecular weight of 749.98 g/mol. Its IUPAC name is N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID168802070
Molecular FormulaC54H39NOS
Molecular Weight749.98 g/mol
Exact Mass749.28
IUPAC NameN-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)oc2cc4ccccc4cc23)c2ccc3ccccc3c2-c2cccc3c2sc2ccccc23)c(-c2ccccc2)c1
InChIInChI=1S/C54H39NOS/c1-54(2,3)38-25-29-47(45(32-38)34-14-5-4-6-15-34)55(39-26-27-41-46-30-36-17-7-8-18-37(36)31-49(46)56-50(41)33-39)48-28-24-35-16-9-10-19-40(35)52(48)44-22-13-21-43-42-20-11-12-23-51(42)57-53(43)44/h4-33H,1-3H3
InChIKeyAHHFHWVSMZOQJD-UHFFFAOYSA-N
XLogP16.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.98
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 156522448
N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170675645
8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 168802218
7-N,17-N-bis(4-tert-butyl-2-phenylphenyl)-7-N,17-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753355
N-(4-tert-butylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168801945
9-N,23-N-bis(4-tert-butylphenyl)-9-N,23-N-bis(3-phenyldibenzothiophen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 171728237
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172501645
N,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-9,9-diphenylfluoren-2-amine
CID 168801848
N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802215
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324576
N-dibenzothiophen-4-yl-8-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675043

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine (CID 168802070) is N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine is CC(C)(C)c1ccc(N(c2ccc3c(c2)oc2cc4ccccc4cc23)c2ccc3ccccc3c2-c2cccc3c2sc2ccccc23)c(-c2ccccc2)c1.
What is the InChIKey of N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is AHHFHWVSMZOQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NOS/c1-54(2,3)38-25-29-47(45(32-38)34-14-5-4-6-15-34)55(39-26-27-41-46-30-36-17-7-8-18-37(36)31-49(46)56-50(41)33-39)48-28-24-35-16-9-10-19-40(35)52(48)44-22-13-21-43-42-20-11-12-23-51(42)57-53(43)44/h4-33H,1-3H3.
What are the key properties of N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 749.98 g/mol, XLogP of 16.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 168802070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).